Nonadiabatic hybrid quantum and molecular mechanic simulations of azobenzene photoswitching in bulk liquid environment.
about
An ab initio microscope: molecular contributions to the femtosecond time-dependent fluorescence shift of a Reichardt-type dye.Photoisomerization in different classes of azobenzene.Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF2 -Coordinated Azo Derivatives.Nonadiabatic photodynamics of a retinal model in polar and nonpolar environmentConnectivity matters - ultrafast isomerization dynamics of bisazobenzene photoswitches.Azobenzene photoisomerization-induced destabilization of B-DNA.Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited-State RelaxationGround and excited electronic states of azobenzene: a quantum Monte Carlo study.Unraveling a chemically enhanced photoswitch: bridged azobenzene.Unusual, photo-induced self-assembly of azobenzene-containing amphiphiles.Periodic decay in the photoisomerisation of p-aminoazobenzene.A multireference perturbation study of the NN stretching frequency of trans-azobenzene in nπ* excitation and an implication for the photoisomerization mechanism.Stochastic model for photoinduced anisotropy.Ultrafast Light-Driven Substrate Expulsion from the Active Site of a Photoswitchable Catalyst.Photoinduced Pedalo-Type Motion in an Azodicarboxamide-Based Molecular Switch.Concerted asynchronous hula-twist photoisomerization in the S65T/H148D mutant of green fluorescent protein.Approximate photochemical dynamics of azobenzene with reactive force fields.Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).Molecular mechanics modeling of azobenzene-based photoswitches.Towards understanding photomigration: Insights from atomistic simulations of azopolymer films explicitly including light-induced isomerization dynamics.Photoisomerization of azobenzenes isolated in cryogenic matrices.Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study.Enhanced E → Z photoisomerisation in 2-aminoazobenzeneQM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous SolutionPhotochemistry ofN-Methylformamide: Matrix Isolation and Nonadiabatic DynamicsUnravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulationsSuperior Z → E and E → Z photoswitching dynamics of dihydrodibenzodiazocine, a bridged azobenzene, by S1(nπ*) excitation at λ = 387 and 490 nm
P2860
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P2860
Nonadiabatic hybrid quantum and molecular mechanic simulations of azobenzene photoswitching in bulk liquid environment.
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
@zh-cn
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@zh-my
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name
Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
@en
Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
@nl
type
label
Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
@en
Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
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Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
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Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
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P2093
P356
P1476
Nonadiabatic hybrid quantum an ...... ng in bulk liquid environment.
@en
P2093
Dominik Marx
Marcus Böckmann
Nikos L Doltsinis
P304
P356
10.1021/JP910103B
P407
P577
2010-01-01T00:00:00Z